Geometry & MOs

Info

ID:	399481
PubChem CID:	135040488
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-191.72
Dipole, Da:	5.07
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-propan-2-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

CCOCC1CCCC(O1)OC2=CC=CC(=C2C=O)O

DOS

IR

Vibrations